methyl N'-[3,3-bis(4-fluorophenyl)butyl]carbamimidothioate

Systemtic Name: methyl N'-[3,3-bis(4-fluorophenyl)butyl]carbamimidothioate Openeye Name: 3-[3,3-bis(4-fluorophenyl)butyl]-2-methyl-isothiourea CAS Name: N'-[3,3-bis(4-fluorophenyl)butyl]carbamimidothioic acid methyl ester IUPAC Name: methyl N'-[3,3-bis(4-fluorophenyl)butyl]carbamimidothioate Traditional Name: 3-[3,3-bis(4-fluorophenyl)butyl]-2-methyl-isothiourea Formula: C18H20F2N2S MolecularWeight: 334.426606

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCN=C(N)SC)(C1=CC=C(C=C1)F)C2=CC=C(C=C2)F

Isomeric SMILES

CC(CCN=C(N)SC)(C1=CC=C(C=C1)F)C2=CC=C(C=C2)F

InChI

InChI=1S/C18H20F2N2S/c1-18(11-12-22-17(21)23-2,13-3-7-15(19)8-4-13)14-5-9-16(20)10-6-14/h3-10H,11-12H2,1-2H3,(H2,21,22)